1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene

C28H22NSi+ — CID 167354982

IUPAC1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene
SMILESCc1ccc2cccc3c2c1-c1c2c(c4ccccc4[n+]1C)-c1ccccc1[Si]23C
InChIInChI=1S/C28H22NSi/c1-17-15-16-18-9-8-14-23-25(18)24(17)27-28-26(19-10-4-6-12-21(19)29(27)2)20-11-5-7-13-22(20)30(23,28)3/h4-16H,1-3H3/q+1
InChIKeySSEOIHAKIDOBAZ-UHFFFAOYSA-N
MW400.58 g/mol
LogP4.19
Rot. Bonds

About 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene

1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene (PubChem CID 167354982) has the molecular formula C28H22NSi+ and a molecular weight of 400.58 g/mol. Its IUPAC name is 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene.

Molecular Properties

Compound Name1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene
PubChem CID167354982
Molecular FormulaC28H22NSi+
Molecular Weight400.58 g/mol
Exact Mass400.15
IUPAC Name1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene
SMILESCc1ccc2cccc3c2c1-c1c2c(c4ccccc4[n+]1C)-c1ccccc1[Si]23C
InChIInChI=1S/C28H22NSi/c1-17-15-16-18-9-8-14-23-25(18)24(17)27-28-26(19-10-4-6-12-21(19)29(27)2)20-11-5-7-13-22(20)30(23,28)3/h4-16H,1-3H3/q+1
InChIKeySSEOIHAKIDOBAZ-UHFFFAOYSA-N
XLogP4.19
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.58
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-methyl-9-[2-(10-methylacridin-10-ium-9-yl)acenaphthylen-1-yl]acridin-10-ium
CID 102582812
10-fluoro-3,20-dimethyl-12-oxa-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 166054751
N,N,3,20-tetramethyl-12-oxa-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-10-amine
CID 166053366
3,20-dimethyl-10-propan-2-yl-12-oxa-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 166054333
9-(8-acridin-9-ylnaphthalen-1-yl)-10-methylacridin-10-ium
CID 101357954
8-carbazol-9-yl-3,20-dimethyl-12-oxa-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 171458885
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
10-(cyclopentylmethyl)-3,20-dimethyl-12-oxa-3-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 166053990
5-methyl-5-naphthalen-1-ylbenzo[b][1]benzosilole
CID 162024535
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
3,20-dimethyl-12-oxa-3-azoniapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 166053292
14-(2,2-dimethylpropyl)-3,24-dimethyl-16-oxa-3-azoniahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(24),2,4(13),5,7,9,11,14,17,19,21(25),22-dodecaene
CID 166054023

Frequently Asked Questions

What is the IUPAC name of 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene?
The IUPAC name of 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene (CID 167354982) is 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene.
What is the SMILES notation for 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene?
The canonical SMILES for 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene is Cc1ccc2cccc3c2c1-c1c2c(c4ccccc4[n+]1C)-c1ccccc1[Si]23C.
What is the InChIKey of 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene?
The InChIKey is SSEOIHAKIDOBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22NSi/c1-17-15-16-18-9-8-14-23-25(18)24(17)27-28-26(19-10-4-6-12-21(19)29(27)2)20-11-5-7-13-22(20)30(23,28)3/h4-16H,1-3H3/q+1.
What are the key properties of 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene?
1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene has a molecular weight of 400.58 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15,18-trimethyl-15-azonia-1-silaheptacyclo[14.9.1.117,21.02,7.08,26.09,14.025,27]heptacosa-2,4,6,8(26),9,11,13,15,17,19,21(27),22,24-tridecaene is sourced from PubChem (CID 167354982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).